NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
617937 |
5trn   |
30198 | cing | 1-original | 3 | AMBER | dihedral angle |
# 766 atoms read from pdb file dd08_BDNAmin.pdb.
# 2 GUA ALPHA: (1 DC5 O3')-(2 DG P)-(2 DG O5')-(2 DG C5') -90.0 -30.0
&rst iat = 28, 29, 32, 33,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 2 GUA BETA: (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4') 150.0 210.0
&rst iat = 29, 32, 33, 36,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 2 GUA GAMMA: (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3') 30.0 90.0
&rst iat = 32, 33, 36, 56,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 2 GUA DELTA: (2 DG C5')-(2 DG C4')-(2 DG C3')-(2 DG O3') 79.0 127.0
&rst iat = 33, 36, 56, 61,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 2 GUA EPSLN: (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DC P) 165.0 225.0
&rst iat = 36, 56, 61, 62,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 2 GUA ZETA: (2 DG C3')-(2 DG O3')-(3 DC P)-(3 DC O5') -135.0 -75.0
&rst iat = 56, 61, 62, 65,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 3 CYT ALPHA: (2 DG O3')-(3 DC P)-(3 DC O5')-(3 DC C5') -90.0 -30.0
&rst iat = 61, 62, 65, 66,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 3 CYT BETA: (3 DC P)-(3 DC O5')-(3 DC C5')-(3 DC C4') 150.0 210.0
&rst iat = 62, 65, 66, 69,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 3 CYT GAMMA: (3 DC O5')-(3 DC C5')-(3 DC C4')-(3 DC C3') 30.0 90.0
&rst iat = 65, 66, 69, 86,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 3 CYT DELTA: (3 DC C5')-(3 DC C4')-(3 DC C3')-(3 DC O3') 79.0 127.0
&rst iat = 66, 69, 86, 91,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 3 CYT EPSLN: (3 DC C4')-(3 DC C3')-(3 DC O3')-(4 8OG P) 165.0 225.0
&rst iat = 69, 86, 91, 92,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 3 CYT ZETA: (3 DC C3')-(3 DC O3')-(4 8OG P)-(4 8OG O5') -135.0 -75.0
&rst iat = 86, 91, 92, 95,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 4 8OG ALPHA: (3 DC O3')-(4 8OG P)-(4 8OG O5')-(4 8OG C5') -90.0 -30.0
&rst iat = 91, 92, 95, 96,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 4 8OG BETA: (4 8OG P)-(4 8OG O5')-(4 8OG C5')-(4 8OG C4') 150.0 210.0
&rst iat = 92, 95, 96, 99,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 4 8OG GAMMA: (4 8OG O5')-(4 8OG C5')-(4 8OG C4')-(4 8OG C3') 30.0 90.0
&rst iat = 95, 96, 99, 120,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 4 8OG DELTA: (4 8OG C5')-(4 8OG C4')-(4 8OG C3')-(4 8OG O3') 79.0 127.0
&rst iat = 96, 99, 120, 125,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
## 4 8OG EPSLN: (4 8OG C4')-(4 8OG C3')-(4 8OG O3')-(5 DA P) 215.0 295.0
&rst iat = 99, 120, 125, 126,
r1 = 214.0, r2 = 215.0, r3 = 295.0, r4 = 296.0,
rk2 = 512.0, rk3 = 512.0, &end
## 4 8OG ZETA: (4 8OG C3')-(4 8OG O3')-(5 DA P)-(5 DA O5') 155.0 205.0
&rst iat = 120, 125, 126, 129,
r1 = 154.0, r2 = 155.0, r3 = 205.0, r4 = 206.0,
&end
## 5 ADE ALPHA: (4 8OG O3')-(5 DA P)-(5 DA O5')-(5 DA C5') -90.0 -30.0
&rst iat = 125, 126, 129, 130,
r1 = -141.0, r2 = -140.0, r3 = 20.0, r4 = 21.0,
rk2 = 32.0, rk3 = 32.0, &end
## 5 ADE BETA: (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') 120.0 210.0
&rst iat = 126, 129, 130, 133,
r1 = 119.0, r2 = 120.0, r3 = 210.0, r4 = 211.0,
&end
## 5 ADE GAMMA: (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 10.0 120.0
&rst iat = 129, 130, 133, 152,
r1 = 9.0, r2 = 10.0, r3 = 120.0, r4 = 121.0,
&end
# 5 ADE DELTA: (5 DA C5')-(5 DA C4')-(5 DA C3')-(5 DA O3') 79.0 127.0
&rst iat = 130, 133, 152, 157,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 5 ADE EPSLN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DA P) 165.0 225.0
&rst iat = 133, 152, 157, 158,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
## 5 ADE ZETA: (5 DA C3')-(5 DA O3')-(6 DA P)-(6 DA O5') -170.0 -75.0
&rst iat = 152, 157, 158, 161,
r1 = -171.0, r2 = -170.0, r3 = -75.0, r4 = -74.0,
&end
# 6 ADE ALPHA: (5 DA O3')-(6 DA P)-(6 DA O5')-(6 DA C5') -90.0 -30.0
&rst iat = 157, 158, 161, 162,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 6 ADE BETA: (6 DA P)-(6 DA O5')-(6 DA C5')-(6 DA C4') 150.0 210.0
&rst iat = 158, 161, 162, 165,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 6 ADE GAMMA: (6 DA O5')-(6 DA C5')-(6 DA C4')-(6 DA C3') 30.0 90.0
&rst iat = 161, 162, 165, 184,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 6 ADE DELTA: (6 DA C5')-(6 DA C4')-(6 DA C3')-(6 DA O3') 79.0 127.0
&rst iat = 162, 165, 184, 189,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 6 ADE EPSLN: (6 DA C4')-(6 DA C3')-(6 DA O3')-(7 DT P) 165.0 225.0
&rst iat = 165, 184, 189, 190,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 6 ADE ZETA: (6 DA C3')-(6 DA O3')-(7 DT P)-(7 DT O5') -135.0 -75.0
&rst iat = 184, 189, 190, 193,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 7 THY ALPHA: (6 DA O3')-(7 DT P)-(7 DT O5')-(7 DT C5') -90.0 -30.0
&rst iat = 189, 190, 193, 194,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 7 THY BETA: (7 DT P)-(7 DT O5')-(7 DT C5')-(7 DT C4') 150.0 210.0
&rst iat = 190, 193, 194, 197,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 7 THY GAMMA: (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3') 30.0 90.0
&rst iat = 193, 194, 197, 216,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 7 THY DELTA: (7 DT C5')-(7 DT C4')-(7 DT C3')-(7 DT O3') 79.0 127.0
&rst iat = 194, 197, 216, 221,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 7 THY EPSLN: (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DT P) 165.0 225.0
&rst iat = 197, 216, 221, 222,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 7 THY ZETA: (7 DT C3')-(7 DT O3')-(8 DT P)-(8 DT O5') -135.0 -75.0
&rst iat = 216, 221, 222, 225,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 8 THY ALPHA: (7 DT O3')-(8 DT P)-(8 DT O5')-(8 DT C5') -90.0 -30.0
&rst iat = 221, 222, 225, 226,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 8 THY BETA: (8 DT P)-(8 DT O5')-(8 DT C5')-(8 DT C4') 150.0 210.0
&rst iat = 222, 225, 226, 229,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 8 THY GAMMA: (8 DT O5')-(8 DT C5')-(8 DT C4')-(8 DT C3') 30.0 90.0
&rst iat = 225, 226, 229, 248,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 8 THY DELTA: (8 DT C5')-(8 DT C4')-(8 DT C3')-(8 DT O3') 79.0 127.0
&rst iat = 226, 229, 248, 253,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 8 THY EPSLN: (8 DT C4')-(8 DT C3')-(8 DT O3')-(9 DMC P) 165.0 225.0
&rst iat = 229, 248, 253, 254,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 8 THY ZETA: (8 DT C3')-(8 DT O3')-(9 DMC P)-(9 DMC O5') -135.0 -75.0
&rst iat = 248, 253, 254, 257,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 9 DMC ALPHA: (8 DT O3')-(9 DMC P)-(9 DMC O5')-(9 DMC C5') -90.0 -30.0
&rst iat = 253, 254, 257, 258,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 9 DMC BETA: (9 DMC P)-(9 DMC O5')-(9 DMC C5')-(9 DMC C4') 150.0 210.0
&rst iat = 254, 257, 258, 261,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 9 DMC GAMMA: (9 DMC O5')-(9 DMC C5')-(9 DMC C4')-(9 DMC C3') 30.0 90.0
&rst iat = 257, 258, 261, 263,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 9 DMC DELTA: (9 DMC C5')-(9 DMC C4')-(9 DMC C3')-(9 DMC O3') 79.0 127.0
&rst iat = 258, 261, 263, 286,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 9 DMC EPSLN: (9 DMC C4')-(9 DMC C3')-(9 DMC O3')-(10 DG P) 165.0 225.0
&rst iat = 261, 263, 286, 287,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 9 DMC ZETA: (9 DMC C3')-(9 DMC O3')-(10 DG P)-(10 DG O5') -135.0 -75.0
&rst iat = 263, 286, 287, 290,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 10 GUA ALPHA: (9 DMC O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -90.0 -30.0
&rst iat = 286, 287, 290, 291,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 10 GUA BETA: (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4') 150.0 210.0
&rst iat = 287, 290, 291, 294,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 10 GUA GAMMA: (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3') 30.0 90.0
&rst iat = 290, 291, 294, 314,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 10 GUA DELTA: (10 DG C5')-(10 DG C4')-(10 DG C3')-(10 DG O3') 79.0 127.0
&rst iat = 291, 294, 314, 319,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 10 GUA EPSLN: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DC P) 165.0 225.0
&rst iat = 294, 314, 319, 320,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 10 GUA ZETA: (10 DG C3')-(10 DG O3')-(11 DC P)-(11 DC O5') -135.0 -75.0
&rst iat = 314, 319, 320, 323,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 11 CYT ALPHA: (10 DG O3')-(11 DC P)-(11 DC O5')-(11 DC C5') -90.0 -30.0
&rst iat = 319, 320, 323, 324,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 11 CYT BETA: (11 DC P)-(11 DC O5')-(11 DC C5')-(11 DC C4') 150.0 210.0
&rst iat = 320, 323, 324, 327,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 11 CYT GAMMA: (11 DC O5')-(11 DC C5')-(11 DC C4')-(11 DC C3') 30.0 90.0
&rst iat = 323, 324, 327, 344,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 11 CYT DELTA: (11 DC C5')-(11 DC C4')-(11 DC C3')-(11 DC O3') 79.0 127.0
&rst iat = 324, 327, 344, 349,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 11 CYT EPSLN: (11 DC C4')-(11 DC C3')-(11 DC O3')-(12 DG3 P) 165.0 225.0
&rst iat = 327, 344, 349, 350,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 11 CYT ZETA: (11 DC C3')-(11 DC O3')-(12 DG3 P)-(12 DG3 O5') -135.0 -75.0
&rst iat = 344, 349, 350, 353,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 14 GUA ALPHA: (13 DC5 O3')-(14 DG P)-(14 DG O5')-(14 DG C5') -90.0 -30.0
&rst iat = 411, 412, 415, 416,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 14 GUA BETA: (14 DG P)-(14 DG O5')-(14 DG C5')-(14 DG C4') 150.0 210.0
&rst iat = 412, 415, 416, 419,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 14 GUA GAMMA: (14 DG O5')-(14 DG C5')-(14 DG C4')-(14 DG C3') 30.0 90.0
&rst iat = 415, 416, 419, 439,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 14 GUA DELTA: (14 DG C5')-(14 DG C4')-(14 DG C3')-(14 DG O3') 79.0 127.0
&rst iat = 416, 419, 439, 444,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 14 GUA EPSLN: (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DC P) 165.0 225.0
&rst iat = 419, 439, 444, 445,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 14 GUA ZETA: (14 DG C3')-(14 DG O3')-(15 DC P)-(15 DC O5') -135.0 -75.0
&rst iat = 439, 444, 445, 448,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 15 CYT ALPHA: (14 DG O3')-(15 DC P)-(15 DC O5')-(15 DC C5') -90.0 -30.0
&rst iat = 444, 445, 448, 449,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 15 CYT BETA: (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') 150.0 210.0
&rst iat = 445, 448, 449, 452,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 15 CYT GAMMA: (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3') 30.0 90.0
&rst iat = 448, 449, 452, 469,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 15 CYT DELTA: (15 DC C5')-(15 DC C4')-(15 DC C3')-(15 DC O3') 79.0 127.0
&rst iat = 449, 452, 469, 474,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 15 CYT EPSLN: (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 8OG P) 165.0 225.0
&rst iat = 452, 469, 474, 475,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 15 CYT ZETA: (15 DC C3')-(15 DC O3')-(16 8OG P)-(16 8OG O5') -135.0 -75.0
&rst iat = 469, 474, 475, 478,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 16 8OG ALPHA: (15 DC O3')-(16 8OG P)-(16 8OG O5')-(16 8OG C5') -90.0 -30.0
&rst iat = 474, 475, 478, 479,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 16 8OG BETA: (16 8OG P)-(16 8OG O5')-(16 8OG C5')-(16 8OG C4') 150.0 210.0
&rst iat = 475, 478, 479, 482,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 16 8OG GAMMA: (16 8OG O5')-(16 8OG C5')-(16 8OG C4')-(16 8OG C3') 30.0 90.0
&rst iat = 478, 479, 482, 503,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 16 8OG DELTA: (16 8OG C5')-(16 8OG C4')-(16 8OG C3')-(16 8OG O3') 79.0 127.0
&rst iat = 479, 482, 503, 508,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
## 16 8OG EPSLN: (16 8OG C4')-(16 8OG C3')-(16 8OG O3')-(17 DA P) 215.0 295.0
&rst iat = 482, 503, 508, 509,
r1 = 214.0, r2 = 215.0, r3 = 295.0, r4 = 296.0,
rk2 = 512.0, rk3 = 512.0, &end
## 16 8OG ZETA: (16 8OG C3')-(16 8OG O3')-(17 DA P)-(17 DA O5') 155.0 205.0
&rst iat = 503, 508, 509, 512,
r1 = 154.0, r2 = 155.0, r3 = 205.0, r4 = 206.0,
&end
## 17 ADE ALPHA: (16 8OG O3')-(17 DA P)-(17 DA O5')-(17 DA C5') -90.0 -30.0
&rst iat = 508, 509, 512, 513,
r1 = -141.0, r2 = -140.0, r3 = 20.0, r4 = 21.0,
rk2 = 32.0, rk3 = 32.0, &end
## 17 ADE BETA: (17 DA P)-(17 DA O5')-(17 DA C5')-(17 DA C4') 120.0 210.0
&rst iat = 509, 512, 513, 516,
r1 = 119.0, r2 = 120.0, r3 = 210.0, r4 = 211.0,
&end
## 17 ADE GAMMA: (17 DA O5')-(17 DA C5')-(17 DA C4')-(17 DA C3') 10.0 120.0
&rst iat = 512, 513, 516, 535,
r1 = 9.0, r2 = 10.0, r3 = 120.0, r4 = 121.0,
&end
# 17 ADE DELTA: (17 DA C5')-(17 DA C4')-(17 DA C3')-(17 DA O3') 79.0 127.0
&rst iat = 513, 516, 535, 540,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 17 ADE EPSLN: (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DA P) 165.0 225.0
&rst iat = 516, 535, 540, 541,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
## 17 ADE ZETA: (17 DA C3')-(17 DA O3')-(18 DA P)-(18 DA O5') -135.0 -75.0
&rst iat = 535, 540, 541, 544,
r1 = -171.0, r2 = -170.0, r3 = -75.0, r4 = -74.0,
&end
# 18 ADE ALPHA: (17 DA O3')-(18 DA P)-(18 DA O5')-(18 DA C5') -90.0 -30.0
&rst iat = 540, 541, 544, 545,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 18 ADE BETA: (18 DA P)-(18 DA O5')-(18 DA C5')-(18 DA C4') 150.0 210.0
&rst iat = 541, 544, 545, 548,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 18 ADE GAMMA: (18 DA O5')-(18 DA C5')-(18 DA C4')-(18 DA C3') 30.0 90.0
&rst iat = 544, 545, 548, 567,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 18 ADE DELTA: (18 DA C5')-(18 DA C4')-(18 DA C3')-(18 DA O3') 79.0 127.0
&rst iat = 545, 548, 567, 572,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 18 ADE EPSLN: (18 DA C4')-(18 DA C3')-(18 DA O3')-(19 DT P) 165.0 225.0
&rst iat = 548, 567, 572, 573,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 18 ADE ZETA: (18 DA C3')-(18 DA O3')-(19 DT P)-(19 DT O5') -135.0 -75.0
&rst iat = 567, 572, 573, 576,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 19 THY ALPHA: (18 DA O3')-(19 DT P)-(19 DT O5')-(19 DT C5') -90.0 -30.0
&rst iat = 572, 573, 576, 577,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 19 THY BETA: (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') 150.0 210.0
&rst iat = 573, 576, 577, 580,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 19 THY GAMMA: (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3') 30.0 90.0
&rst iat = 576, 577, 580, 599,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 19 THY DELTA: (19 DT C5')-(19 DT C4')-(19 DT C3')-(19 DT O3') 79.0 127.0
&rst iat = 577, 580, 599, 604,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 19 THY EPSLN: (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DT P) 165.0 225.0
&rst iat = 580, 599, 604, 605,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 19 THY ZETA: (19 DT C3')-(19 DT O3')-(20 DT P)-(20 DT O5') -135.0 -75.0
&rst iat = 599, 604, 605, 608,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 20 THY ALPHA: (19 DT O3')-(20 DT P)-(20 DT O5')-(20 DT C5') -90.0 -30.0
&rst iat = 604, 605, 608, 609,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 20 THY BETA: (20 DT P)-(20 DT O5')-(20 DT C5')-(20 DT C4') 150.0 210.0
&rst iat = 605, 608, 609, 612,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 20 THY GAMMA: (20 DT O5')-(20 DT C5')-(20 DT C4')-(20 DT C3') 30.0 90.0
&rst iat = 608, 609, 612, 631,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 20 THY DELTA: (20 DT C5')-(20 DT C4')-(20 DT C3')-(20 DT O3') 79.0 127.0
&rst iat = 609, 612, 631, 636,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 20 THY EPSLN: (20 DT C4')-(20 DT C3')-(20 DT O3')-(21 DMC P) 165.0 225.0
&rst iat = 612, 631, 636, 637,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 20 THY ZETA: (20 DT C3')-(20 DT O3')-(21 DMC P)-(21 DMC O5') -135.0 -75.0
&rst iat = 631, 636, 637, 640,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 21 DMC ALPHA: (20 DT O3')-(21 DMC P)-(21 DMC O5')-(21 DMC C5') -90.0 -30.0
&rst iat = 636, 637, 640, 641,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 21 DMC BETA: (21 DMC P)-(21 DMC O5')-(21 DMC C5')-(21 DMC C4') 150.0 210.0
&rst iat = 637, 640, 641, 644,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 21 DMC GAMMA: (21 DMC O5')-(21 DMC C5')-(21 DMC C4')-(21 DMC C3') 30.0 90.0
&rst iat = 640, 641, 644, 646,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 21 DMC DELTA: (21 DMC C5')-(21 DMC C4')-(21 DMC C3')-(21 DMC O3') 79.0 127.0
&rst iat = 641, 644, 646, 669,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 21 DMC EPSLN: (21 DMC C4')-(21 DMC C3')-(21 DMC O3')-(22 DG P) 165.0 225.0
&rst iat = 644, 646, 669, 670,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 21 DMC ZETA: (21 DMC C3')-(21 DMC O3')-(22 DG P)-(22 DG O5') -135.0 -75.0
&rst iat = 646, 669, 670, 673,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 22 GUA ALPHA: (21 DMC O3')-(22 DG P)-(22 DG O5')-(22 DG C5') -90.0 -30.0
&rst iat = 669, 670, 673, 674,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 22 GUA BETA: (22 DG P)-(22 DG O5')-(22 DG C5')-(22 DG C4') 150.0 210.0
&rst iat = 670, 673, 674, 677,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 22 GUA GAMMA: (22 DG O5')-(22 DG C5')-(22 DG C4')-(22 DG C3') 30.0 90.0
&rst iat = 673, 674, 677, 697,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 22 GUA DELTA: (22 DG C5')-(22 DG C4')-(22 DG C3')-(22 DG O3') 79.0 127.0
&rst iat = 674, 677, 697, 702,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 22 GUA EPSLN: (22 DG C4')-(22 DG C3')-(22 DG O3')-(23 DC P) 165.0 225.0
&rst iat = 677, 697, 702, 703,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 22 GUA ZETA: (22 DG C3')-(22 DG O3')-(23 DC P)-(23 DC O5') -135.0 -75.0
&rst iat = 697, 702, 703, 706,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 23 CYT ALPHA: (22 DG O3')-(23 DC P)-(23 DC O5')-(23 DC C5') -90.0 -30.0
&rst iat = 702, 703, 706, 707,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 23 CYT BETA: (23 DC P)-(23 DC O5')-(23 DC C5')-(23 DC C4') 150.0 210.0
&rst iat = 703, 706, 707, 710,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 23 CYT GAMMA: (23 DC O5')-(23 DC C5')-(23 DC C4')-(23 DC C3') 30.0 90.0
&rst iat = 706, 707, 710, 727,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 23 CYT DELTA: (23 DC C5')-(23 DC C4')-(23 DC C3')-(23 DC O3') 79.0 127.0
&rst iat = 707, 710, 727, 732,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 23 CYT EPSLN: (23 DC C4')-(23 DC C3')-(23 DC O3')-(24 DG3 P) 165.0 225.0
&rst iat = 710, 727, 732, 733,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 23 CYT ZETA: (23 DC C3')-(23 DC O3')-(24 DG3 P)-(24 DG3 O5') -135.0 -75.0
&rst iat = 727, 732, 733, 736,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
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